Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 3' and Ligand = 'BDBM50186929'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50186929 (3-(4-(5-(3-cyano-4-(1,1,1,3,3,3-hexafluoropropan-2...) Show SMILES Cc1cc(CCC(O)=O)ccc1-c1noc(n1)-c1ccc(OC(C(F)(F)F)C(F)(F)F)c(c1)C#N Show InChI InChI=1S/C22H15F6N3O4/c1-11-8-12(3-7-17(32)33)2-5-15(11)18-30-19(35-31-18)13-4-6-16(14(9-13)10-29)34-20(21(23,24)25)22(26,27)28/h2,4-6,8-9,20H,3,7H2,1H3,(H,32,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	340	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at S1P3 receptor expressed in CHO cells measured as S1P-induced [35S]GTPgammaS uptake				Bioorg Med Chem Lett 16: 3679-83 (2006) Article DOI: 10.1016/j.bmcl.2006.04.084 BindingDB Entry DOI: 10.7270/Q2J67GJ8
					More data for this Ligand-Target Pair